N2-[[2-(azocan-1-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine

Systemtic Name: N2-[[2-(azocan-1-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine Openeye Name: N2-[[2-(azocan-1-yl)phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: N2-[[2-(1-azocanyl)phenyl]methyl]-N7-ethyl-6-nitroquinazoline-2,7-diamine IUPAC Name: 2-N-[[2-(azocan-1-yl)phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: [2-(azocan-1-yl)benzyl]-[7-(ethylamino)-6-nitro-quinazolin-2-yl]amine Formula: C24H30N6O2 MolecularWeight: 434.534

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3=CC=CC=C3N4CCCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C=NC(=NC2=C1)NCC3=CC=CC=C3N4CCCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N6O2/c1-2-25-21-15-20-19(14-23(21)30(31)32)17-27-24(28-20)26-16-18-10-6-7-11-22(18)29-12-8-4-3-5-9-13-29/h6-7,10-11,14-15,17,25H,2-5,8-9,12-13,16H2,1H3,(H,26,27,28)